KEGG   COMPOUND: C15763
Entry
C15763                      Compound                               
Name
SW 163C
Formula
C52H60N10O14S2
Exact mass
1112.3732
Mol weight
1113.2214
Structure
Sequence
0 3HQA  1 D-Ser  2 Ala  3 Cys  4 N-Methyl-cyclopropane  (Dimer)
  Type
NRP
Comment
3 Cys is modified by N-methyl. (i.e. N-Methylcysteine, MeCys)
Other DBs
PubChem: 47205089
ChEBI: 80087
NIKKAJI: J1.586.828G
KCF data

ATOM        78
            1   N1x N    21.3500  -23.3800
            2   C5x C    21.3500  -21.9800
            3   C5x C    23.8000  -23.3800
            4   C1y C    22.5400  -24.0800
            5   C1y C    26.1800  -23.3800
            6   N1y N    24.9900  -24.0800
            7   N1y N    28.6300  -23.3800
            8   C5x C    27.4400  -24.0800
            9   O7x O    31.0800  -21.9800
            10  C7x C    31.0800  -23.3800
            11  C1z C    29.8200  -24.0800
            12  C1y C    20.1600  -21.2800
            13  C1x C    20.1600  -19.8800
            14  O7x O    21.3500  -19.1800
            15  C5x C    31.0800  -19.1800
            16  C1y C    32.2700  -19.8800
            17  C1x C    32.2700  -21.2800
            18  C7x C    21.3500  -17.7800
            19  C1z C    22.5400  -17.0800
            20  N1y N    23.8000  -17.7800
            21  C5x C    24.9900  -17.0800
            22  C1y C    26.1800  -17.7800
            23  N1y N    27.4400  -17.0800
            24  C5x C    28.6300  -17.7800
            25  C1y C    29.8200  -17.0800
            26  N1x N    31.0800  -17.7800
            27  O5x O    29.8900  -19.8800
            28  C1a C    29.8200  -15.6800
            29  O5x O    28.6300  -19.1800
            30  C1a C    27.4400  -15.6800
            31  C1x C    26.1800  -19.1800
            32  S3x S    24.9900  -19.8800
            33  S3x S    24.9900  -21.2800
            34  C1x C    26.1800  -21.9800
            35  O5x O    24.9900  -15.6800
            36  C1a C    23.8000  -19.1800
            37  O6a O    20.1600  -17.0800
            38  N1b N    18.9700  -21.9800
            39  C5a C    17.7800  -21.2800
            40  C8y C    16.5900  -21.9800
            41  O5a O    17.7800  -19.8800
            42  O5x O    22.5400  -21.2800
            43  C1a C    22.5400  -25.4800
            44  O5x O    23.8000  -21.9800
            45  C1a C    24.9900  -25.4800
            46  O5x O    27.4400  -25.4800
            47  C1a C    28.6300  -21.9800
            48  O6a O    32.2700  -24.0800
            49  N1b N    33.4600  -19.1800
            50  C5a C    34.6500  -19.8800
            51  C8y C    35.8400  -19.1800
            52  O5a O    34.6500  -21.2800
            53  C8y C    16.5900  -23.3800
            54  C8x C    15.3300  -24.0800
            55  C8y C    14.1400  -23.3800
            56  C8y C    14.1400  -21.9800
            57  N5x N    15.3300  -21.2800
            58  C8x C    12.9500  -24.0800
            59  C8x C    11.6900  -23.3800
            60  C8x C    11.6900  -21.9800
            61  C8x C    12.9500  -21.2800
            62  O1a O    17.7800  -24.0800
            63  C8y C    35.8400  -17.7800
            64  C8x C    37.1000  -17.0800
            65  C8y C    38.2900  -17.7800
            66  C8y C    38.2900  -19.1800
            67  N5x N    37.1000  -19.8800
            68  C8x C    39.4800  -17.0800
            69  C8x C    40.7400  -17.7800
            70  C8x C    40.7400  -19.1800
            71  C8x C    39.4800  -19.8800
            72  O1a O    34.6500  -17.0800
            73  C1x C    30.5200  -25.2700
            74  C1y C    29.1200  -25.2700
            75  C1a C    28.1400  -26.2500
            76  C1x C    21.8400  -15.8900
            77  C1y C    23.2400  -15.8900
            78  C1a C    24.2200  -14.9100
BOND        85
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     5   6 1
            5     3   6 1
            6     7   8 1
            7     5   8 1
            8     9  10 1
            9    10  11 1
            10    7  11 1
            11    2  12 1
            12   12  13 1
            13   13  14 1
            14   15  16 1
            15   16  17 1
            16    9  17 1
            17   14  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  15 1
            27   15  27 2
            28   25  28 1
            29   24  29 2
            30   23  30 1
            31   22  31 1
            32   31  32 1
            33   32  33 1
            34   33  34 1
            35    5  34 1
            36   21  35 2
            37   20  36 1
            38   18  37 2
            39   12  38 1
            40   38  39 1
            41   39  40 1
            42   39  41 2
            43    2  42 2
            44    4  43 1
            45    3  44 2
            46    6  45 1
            47    8  46 2
            48    7  47 1
            49   10  48 2
            50   16  49 1
            51   49  50 1
            52   50  51 1
            53   50  52 2
            54   40  53 1
            55   53  54 2
            56   54  55 1
            57   55  56 2
            58   56  57 1
            59   40  57 2
            60   55  58 1
            61   58  59 2
            62   59  60 1
            63   60  61 2
            64   56  61 1
            65   53  62 1
            66   51  63 1
            67   63  64 2
            68   64  65 1
            69   65  66 2
            70   66  67 1
            71   51  67 2
            72   65  68 1
            73   68  69 2
            74   69  70 1
            75   70  71 2
            76   66  71 1
            77   63  72 1
            78   11  73 1
            79   11  74 1
            80   74  73 1
            81   74  75 1
            82   19  76 1
            83   19  77 1
            84   76  77 1
            85   77  78 1

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